sodium 4-(1,1-diphenylbutoxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-(1,1-diphenylbutoxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-(1,1-diphenylbutoxy)-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-(1,1-diphenylbutoxy)-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-(1,1-diphenylbutoxy)-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-(1,1-diphenylbutoxy)-4-keto-3-sulfo-butyrate Formula: C20H21NaO7S MolecularWeight: 428.43131

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H22O7S.Na/c1-2-13-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)27-19(23)17(14-18(21)22)28(24,25)26;/h3-12,17H,2,13-14H2,1H3,(H,21,22)(H,24,25,26);/q;+1/p-1